ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine

C10H19NO3 — CID 21490532

IUPACethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
SMILESCCO.CCOC1=CCCC/C1=N/O
InChIInChI=1S/C8H13NO2.C2H6O/c1-2-11-8-6-4-3-5-7(8)9-10;1-2-3/h6,10H,2-5H2,1H3;3H,2H2,1H3/b9-7-;
InChIKeyKQEATABDYSHLIF-VILQZVERSA-N
MW201.27 g/mol
LogP1.92
Rot. Bonds2

About ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine

ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 21490532) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Nameethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID21490532
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
SMILESCCO.CCOC1=CCCC/C1=N/O
InChIInChI=1S/C8H13NO2.C2H6O/c1-2-11-8-6-4-3-5-7(8)9-10;1-2-3/h6,10H,2-5H2,1H3;3H,2H2,1H3/b9-7-;
InChIKeyKQEATABDYSHLIF-VILQZVERSA-N
XLogP1.92
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine (CID 21490532) is ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine is CCO.CCOC1=CCCC/C1=N/O.
What is the InChIKey of ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is KQEATABDYSHLIF-VILQZVERSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6O/c1-2-11-8-6-4-3-5-7(8)9-10;1-2-3/h6,10H,2-5H2,1H3;3H,2H2,1H3/b9-7-;.
What are the key properties of ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine?
ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 21490532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).